1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol

C17H28O2 — CID 21361775

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol
SMILESOC(CCCOC1CCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C17H28O2/c18-16(4-3-9-19-17-5-1-2-6-17)12-15-11-13-7-8-14(15)10-13/h7-8,13-18H,1-6,9-12H2
InChIKeyUGXFHGINEIECNW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.69
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol (PubChem CID 21361775) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol
PubChem CID21361775
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol
SMILESOC(CCCOC1CCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C17H28O2/c18-16(4-3-9-19-17-5-1-2-6-17)12-15-11-13-7-8-14(15)10-13/h7-8,13-18H,1-6,9-12H2
InChIKeyUGXFHGINEIECNW-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol (CID 21361775) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol is OC(CCCOC1CCCC1)CC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol?
The InChIKey is UGXFHGINEIECNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c18-16(4-3-9-19-17-5-1-2-6-17)12-15-11-13-7-8-14(15)10-13/h7-8,13-18H,1-6,9-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-5-cyclopentyloxypentan-2-ol is sourced from PubChem (CID 21361775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).